Programmatically get compounds in ChEMBL from related targets
1
0
Entering edit mode
4.4 years ago
doh ▴ 10

I have a list of ChEMBL targets e.g. CHEMBL1075192, CHEMBL1250361, CHEMBL1293247, CHEMBL1293285, CHEMBL1293302 - and I would like to download all their associated compounds. I know that I can enter these here as queries and search "all targets" and then view their "target" table individually, and then from there access their related "compound" table, but I actually have ~100 targets for which I would like to get their related compounds and so I am looking for a way to do this programmatically. Any advice or tips?

chembl api • 1.5k views
ADD COMMENT
0
Entering edit mode

have you tried using biomaRt in R? more on this package and examples - https://bioconductor.statistik.tu-dortmund.de/packages/3.3/bioc/vignettes/biomaRt/inst/doc/biomaRt.pdf.

ADD REPLY
1
Entering edit mode
4.4 years ago
doh ▴ 10

For anyone else trying to link targets and compounds at ChEMBL I figured out how by reading through this page

ADD COMMENT

Login before adding your answer.

Traffic: 2005 users visited in the last hour
Help About
FAQ
Access RSS
API
Stats

Use of this site constitutes acceptance of our User Agreement and Privacy Policy.

Powered by the version 2.3.6